1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C11H16F3N3 — CID 64857129

IUPAC1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)(C)n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C11H16F3N3/c1-10(2,3)17-8-4-5-15-6-7(8)16-9(17)11(12,13)14/h15H,4-6H2,1-3H3
InChIKeyAFHJVJMXFGPHNF-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.30
Rot. Bonds

About 1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857129) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857129
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)(C)n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C11H16F3N3/c1-10(2,3)17-8-4-5-15-6-7(8)16-9(17)11(12,13)14/h15H,4-6H2,1-3H3
InChIKeyAFHJVJMXFGPHNF-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856930
1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 104766222
1-(3,5-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857794
1-(1-methylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858158
1-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64921300
N,N-dimethyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]acetamide
CID 64857327
1-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856976
1-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858092
1-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859097
1-(2-phenylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859077
1-(1-cyclopropylpyrrolidin-3-yl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859144
N-[3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]propyl]methanesulfonamide
CID 106338518

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857129) is 1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)(C)n1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is AFHJVJMXFGPHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-10(2,3)17-8-4-5-15-6-7(8)16-9(17)11(12,13)14/h15H,4-6H2,1-3H3.
What are the key properties of 1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 247.26 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).